Molecule

ID:98574

General Information
Structure
MolImage
Molecular Formula
C₆HF₅S
Molecular Mass
200.129156
Exact Mass
199.97191213
Charge
0
InChI
InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
UVAMFBJPMUMURT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)S)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)F)F)S
Calculated Properties
JChem
Acid pKa
3.427172
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.4384277
LogD (pH = 7.4)
1.3549082
Log P
2.7799628
Molar Refractivity
35.1498
Polarizability
12.537912
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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